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1289386-14-6 | 4-(2-Methylsulfanyl-pyrimidin-4-ylamino)-cyclohexanol
CAS No: 1289386-14-6 Catalog No: AG01F883 MDL No:
Product Description
Catalog Number:
AG01F883
Chemical Name:
4-(2-Methylsulfanyl-pyrimidin-4-ylamino)-cyclohexanol
CAS Number:
1289386-14-6
Molecular Formula:
C11H17N3OS
Molecular Weight:
239.3372
IUPAC Name:
4-[(2-methylsulfanylpyrimidin-4-yl)amino]cyclohexan-1-ol
InChI:
InChI=1S/C11H17N3OS/c1-16-11-12-7-6-10(14-11)13-8-2-4-9(15)5-3-8/h6-9,15H,2-5H2,1H3,(H,12,13,14)
InChI Key:
ODFSDGGAZHZORF-UHFFFAOYSA-N
SMILES:
CSc1nccc(n1)N[C@@H]1CC[C@H](CC1)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.109g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.337g/mol
Monoisotopic Mass:
239.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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